Basic information
- CAS
153050-21-6- Standard SMILES
CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1.[Cl-]- InChIKey
NQHFSECYQAQZBN-LSYPWIJNSA-M- Molecular formula
- C37H45Cl3N2O2
- Average molar mass
- 656.1 g/mol
- Monoisotopic mass
- 654.254662
Overview
See also: SR 140333 (annotation moved to).
Names & identifiers
- Preferred name
- Nolpitantium chloride
- IUPAC
- 1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone chloride
- English name
- SR 140333
- Molecular formula
- C37H45Cl3N2O2
- Molecular weight
- 656.13
Names & synonyms
Nolpitantium chloride22O6XI63E01-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;chlorideCHEMBL38763(S)-1-(2-(3-(3,4-Dichlorophenyl)-1-(2-(3-isopropoxyphenyl)acetyl)piperidin-3-yl)ethyl)-4-phenylquinuclidin-1-ium chloride1-(2-(3-(3,4-Dichlorophenyl)-1-(3-isopropoxyphenylacetyl)piperidin-3-yl)ethyl)-4-phenyl-1-azabicyclo(2.2.2)octane chloride1-{2-[(3S)-3-(3,4-dichlorophenyl)-1-{2-[3-(propan-2-yloxy)phenyl]acetyl}piperidin-3-yl]ethyl}-4-phenyl-1-azabicyclo[2.2.2]octan-1-ium chlorideUNII-22O6XI63E0orb1704043SCHEMBL1650319SCHEMBL29405138SCHEMBL29721569
Show more names
SR 1403331-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane chloride1-Azoniabicyclo[2.2.2]octane,1-[2-[(3S)-3-(3,4-dichlorophenyl)-1-[2-[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-,chloride (1:1)
DTXSID60934670GLXC-03324AKOS024457927SR 140333ASR-140333ADA-77999MS-32757HY-108479
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 913
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- form
- Powder
- FDA UNII
- 22 O6XI63E0 · 22O6XI63E0
Chemistry & industry
Applications
UsesSR 140333 is a tachykinin antagonist.
Suppliers7 total
Aladdin Scientific[email protected]
上海波以尔化工有限公司[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海珀法姆医药科技有限公司+86 18721201413 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…